decanoic acid;dichloromethane

C11H22Cl2O2 — CID 158392247

IUPACdecanoic acid;dichloromethane
SMILESCCCCCCCCCC(=O)O.ClCCl
InChIInChI=1S/C10H20O2.CH2Cl2/c1-2-3-4-5-6-7-8-9-10(11)12;2-1-3/h2-9H2,1H3,(H,11,12);1H2
InChIKeyGXCJKCPBSXSCGN-UHFFFAOYSA-N
MW257.20 g/mol
LogP4.63
Rot. Bonds8

About decanoic acid;dichloromethane

decanoic acid;dichloromethane (PubChem CID 158392247) has the molecular formula C11H22Cl2O2 and a molecular weight of 257.20 g/mol. Its IUPAC name is decanoic acid;dichloromethane.

Molecular Properties

Compound Namedecanoic acid;dichloromethane
PubChem CID158392247
Molecular FormulaC11H22Cl2O2
Molecular Weight257.20 g/mol
Exact Mass256.10
IUPAC Namedecanoic acid;dichloromethane
SMILESCCCCCCCCCC(=O)O.ClCCl
InChIInChI=1S/C10H20O2.CH2Cl2/c1-2-3-4-5-6-7-8-9-10(11)12;2-1-3/h2-9H2,1H3,(H,11,12);1H2
InChIKeyGXCJKCPBSXSCGN-UHFFFAOYSA-N
XLogP4.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of decanoic acid;dichloromethane?
The IUPAC name of decanoic acid;dichloromethane (CID 158392247) is decanoic acid;dichloromethane.
What is the SMILES notation for decanoic acid;dichloromethane?
The canonical SMILES for decanoic acid;dichloromethane is CCCCCCCCCC(=O)O.ClCCl.
What is the InChIKey of decanoic acid;dichloromethane?
The InChIKey is GXCJKCPBSXSCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.CH2Cl2/c1-2-3-4-5-6-7-8-9-10(11)12;2-1-3/h2-9H2,1H3,(H,11,12);1H2.
What are the key properties of decanoic acid;dichloromethane?
decanoic acid;dichloromethane has a molecular weight of 257.20 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decanoic acid;dichloromethane is sourced from PubChem (CID 158392247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).